(3-bromo-5-chlorophenyl)methanamine

C7H7BrClN — CID 58962965

IUPAC(3-bromo-5-chlorophenyl)methanamine
SMILESNCc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H7BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
InChIKeyKHUHKVBBFRQHSO-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.56
Rot. Bonds1

About (3-bromo-5-chlorophenyl)methanamine

(3-bromo-5-chlorophenyl)methanamine (PubChem CID 58962965) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)methanamine
PubChem CID58962965
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name(3-bromo-5-chlorophenyl)methanamine
SMILESNCc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H7BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
InChIKeyKHUHKVBBFRQHSO-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)methanamine (CID 58962965) is (3-bromo-5-chlorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)methanamine is NCc1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)methanamine?
The InChIKey is KHUHKVBBFRQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2.
What are the key properties of (3-bromo-5-chlorophenyl)methanamine?
(3-bromo-5-chlorophenyl)methanamine has a molecular weight of 220.50 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)methanamine is sourced from PubChem (CID 58962965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).